1-piperidin-1-ium-1-ylpropan-2-yl 2-(4-methoxyphenoxy)ethanoate

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl 2-(4-methoxyphenoxy)ethanoate Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) 2-(4-methoxyphenoxy)acetate CAS Name: 2-(4-methoxyphenoxy)acetic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester IUPAC Name: 1-piperidin-1-ium-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate Traditional Name: 2-(4-methoxyphenoxy)acetic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester Formula: C17H26NO4+ MolecularWeight: 308.39264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)COC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C[NH+]1CCCCC1)OC(=O)COC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H25NO4/c1-14(12-18-10-4-3-5-11-18)22-17(19)13-21-16-8-6-15(20-2)7-9-16/h6-9,14H,3-5,10-13H2,1-2H3/p+1